2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-quinazolinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-(homoveratrylamino)quinazolin-2-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H32N4O3S/c1-18-11-14-30(15-12-18)24(31)17-34-26-28-21-7-5-4-6-20(21)25(29-26)27-13-10-19-8-9-22(32-2)23(16-19)33-3/h4-9,16,18H,10-15,17H2,1-3H3,(H,27,28,29)